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Substance Name: Magainin II(f)
RN: 113078-23-2
InChIKey: UVUGFOJXKIFEGO-BEBDTPEXSA-N

Molecular Formula

  • C83-H131-N23-O23-S

Molecular Weight

  • 1851.1519
 
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Names and Synonyms

Results Name

  • Magainin II(f)

Synonym

  • Magainin IIf

Systematic Name

  • Magainin I, 1-deglycine-2-de-L-isoleucine-3-deglycine-4-de-L-lysine-5-de-L-phenylalanine-6-de-L-leucine-10-L-lysine-22-L-asparagine-

Registry Numbers

CAS Registry Number

  • 113078-23-2

System Generated Number

  • 0113078232

Structure Descriptors

InChI

1S/C83H131N23O23S/c1-8-46(4)68(82(127)99-57(30-34-130-7)76(121)102-60(38-63(88)109)78(123)104-62(43-108)83(128)129)106-77(122)56(28-29-66(112)113)96-65(111)41-91-81(126)67(45(2)3)105-79(124)59(36-50-23-13-10-14-24-50)100-70(115)48(6)93-73(118)53(25-15-18-31-84)95-64(110)40-90-72(117)58(35-49-21-11-9-12-22-49)101-75(120)55(27-17-20-33-86)98-74(119)54(26-16-19-32-85)97-69(114)47(5)94-80(125)61(42-107)103-71(116)52(87)37-51-39-89-44-92-51/h9-14,21-24,39,44-48,52-62,67-68,107-108H,8,15-20,25-38,40-43,84-87H2,1-7H3,(H2,88,109)(H,89,92)(H,90,117)(H,91,126)(H,93,118)(H,94,125)(H,95,110)(H,96,111)(H,97,114)(H,98,119)(H,99,127)(H,100,115)(H,101,120)(H,102,121)(H,103,116)(H,104,123)(H,105,124)(H,106,122)(H,112,113)(H,128,129)/t46-,47-,48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1

InChIKey

UVUGFOJXKIFEGO-BEBDTPEXSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3cnc[nH]3)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)O